[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N=[N+]=[N-]

InChI

InChI=1S/C17H18N6O6/c1-9-2-4-10(5-3-9)15(26)28-8-17(21-22-19)13(25)12(24)14(29-17)23-7-6-11(18)20-16(23)27/h2-7,12-14,24-25H,8H2,1H3,(H2,18,20,27)